3-isothiocyanato-1-[[2,3,5,6-tetrakis(fluoranyl)phenyl]methyl]pyrazole

Systemtic Name: 3-isothiocyanato-1-[[2,3,5,6-tetrakis(fluoranyl)phenyl]methyl]pyrazole Openeye Name: 3-isothiocyanato-1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazole CAS Name: 3-isothiocyanato-1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazole IUPAC Name: 3-isothiocyanato-1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazole Traditional Name: 3-isothiocyanato-1-(2,3,5,6-tetrafluorobenzyl)pyrazole Formula: C11H5F4N3S MolecularWeight: 287.236113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1N=C=S)CC2=C(C(=CC(=C2F)F)F)F

Isomeric SMILES

C1=CN(N=C1N=C=S)CC2=C(C(=CC(=C2F)F)F)F

InChI

InChI=1S/C11H5F4N3S/c12-7-3-8(13)11(15)6(10(7)14)4-18-2-1-9(17-18)16-5-19/h1-3H,4H2